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| CAS No.: | 1120-72-5 |
|---|---|
| Name: | 2-Methylcyclopentanone |
| Molecular Structure: | |
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|
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| Formula: | C6H10O |
| Molecular Weight: | 98.1448 |
| Synonyms: | Cyclopentanone,2-methyl-, (?à)-;NSC 105429;a-Methylcyclopentanone; |
| EINECS: | 214-318-4 |
| Density: | 0.933 g/cm3 |
| Melting Point: | -75°C |
| Boiling Point: | 141.647 °C at 760 mmHg |
| Flash Point: | 32.701 °C |
| Solubility: | soluble in water |
| Appearance: | clear colourless to very slightly yellow liquid |
| Hazard Symbols: |
 F
|
| Risk Codes: | 10 |
| Safety: | 16-29-33 |
| Transport Information: | UN 1224 3/PG 3 |
| PSA: | 17.07000 |
| LogP: | 1.37550 |
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Specification
The CAS register number of 2-Methylcyclopentanone is 1120-72-5. It also can be called as Cyclopentanone,2-methyl- and the IUPAC name about this chemical is 2-methylcyclopentan-1-one. The molecular formula about this chemical is C6H10O and the molecular weight is 98.14. It belongs to the following product categories which include C3 to C6; Carbonyl Compounds; Ketones and so on.
Physical properties about 2-Methylcyclopentanone are: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 0.69; (4)ACD/BCF (pH 5.5): 1.97; (5)ACD/BCF (pH 7.4): 1.97; (6)ACD/KOC (pH 5.5): 56.54; (7)ACD/KOC (pH 7.4): 56.54; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07Å2; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 27.89 cm3; (12)Molar Volume: 105.2 cm3; (13)Polarizability: 11.05x10-24cm3; (14)Surface Tension: 28.8 dyne/cm; (15)Flash Point: 32.7 °C; (16)Enthalpy of Vaporization: 37.88 kJ/mol; (17)Boiling Point: 141.6 °C at 760 mmHg; (18)Vapour Pressure: 5.8 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(trimethylsiloxy)cyclopentene and iodomethane. This reaction will need reagent AgOCOCF3 and solvent CH2Cl2. The reaction time is 10 min with reaction temperature of 25 °C. The yield is about 78%.
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Uses of 2-Methylcyclopentanone: it can be used to produce 2-methyl-cyclopentanol. This reaction will need reagent LAH.
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When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. When you are using it, please keep away from sources of ignition and take precautionary measures against static discharges, moreover, you should not empty into drains.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(C)CCC1
(2)InChI: InChI=1/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
(3)InChIKey: ZIXLDMFVRPABBX-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
(5)Std. InChIKey: ZIXLDMFVRPABBX-UHFFFAOYSA-N